SCHEMBL4362448

SCHEMBL4362448

CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCNCC3)O4)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.44
FLT3 P36888 2/20 0.39
HTR2B P41595 1/20 0.37
MTOR P42345 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE7A Q13946 2/20 0.35
ROCK2 O75116 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
PIK3CA P42336 1/20 0.35
KCNH2 Q12809 3/20 0.34
SLC8A1 P32418 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CFTR P13569 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4538191 0.90 TNKS (0.41) TNKSHTR2BMTORNPC1RAB9A
SCHEMBL4355462 0.88 POLB (0.42) TNKSHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL4348683 0.86 TNKS (0.41) TNKSHTR2BMTORNPC1RAB9A
SCHEMBL4355330 0.86 GPR119 (0.39) TNKSHTR2BMTORPDE7AROCK2
SCHEMBL4351738 0.86 TNKS (0.38) TNKSFLT3HTR2BMTORNPC1
SCHEMBL4355344 0.86 GPR119 (0.43) TNKSCFTR
SCHEMBL4532442 0.85 STAT3 (0.43) FLT3ROCK2BMPR1BBMPR1AACVRL1
SCHEMBL4540460 0.81 SMN1; SMN2 (0.43) HTR2BMTORNPC1RAB9ASMN1; SMN2
SCHEMBL4353573 0.81 SMN1; SMN2 (0.41) MTORNPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL4521195 0.78 GPR119 (0.42) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed